N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-5-[2-hydroxyethyl(propyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H29F2N7O2 — CID 169120995

IUPACN-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-5-[2-hydroxyethyl(propyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCN(CCO)c1ccn2ncc(C(=O)Nc3cn(C4CCCCC4)nc3C(F)F)c2n1
InChIInChI=1S/C22H29F2N7O2/c1-2-9-29(11-12-32)18-8-10-30-21(27-18)16(13-25-30)22(33)26-17-14-31(28-19(17)20(23)24)15-6-4-3-5-7-15/h8,10,13-15,20,32H,2-7,9,11-12H2,1H3,(H,26,33)
InChIKeyVBZKRBXKEUXLLW-UHFFFAOYSA-N
MW461.52 g/mol
LogP3.83
Rot. Bonds9

About N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-5-[2-hydroxyethyl(propyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-5-[2-hydroxyethyl(propyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 169120995) has the molecular formula C22H29F2N7O2 and a molecular weight of 461.52 g/mol. Its IUPAC name is N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-5-[2-hydroxyethyl(propyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-5-[2-hydroxyethyl(propyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID169120995
Molecular FormulaC22H29F2N7O2
Molecular Weight461.52 g/mol
Exact Mass461.24
IUPAC NameN-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-5-[2-hydroxyethyl(propyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCN(CCO)c1ccn2ncc(C(=O)Nc3cn(C4CCCCC4)nc3C(F)F)c2n1
InChIInChI=1S/C22H29F2N7O2/c1-2-9-29(11-12-32)18-8-10-30-21(27-18)16(13-25-30)22(33)26-17-14-31(28-19(17)20(23)24)15-6-4-3-5-7-15/h8,10,13-15,20,32H,2-7,9,11-12H2,1H3,(H,26,33)
InChIKeyVBZKRBXKEUXLLW-UHFFFAOYSA-N
XLogP3.83
TPSA100.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-(difluoromethyl)-1-[4-[[4-[4-[1-[(2R,3R,6R)-2,6-dihydroxypiperidin-3-yl]-3-methylindazol-4-yl]pyrazol-1-yl]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[2-hydroxyethyl(propyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 164596266
5-amino-N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 158632830
N-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]-5-(4-hydroxycyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 156523603
5-(cyclopropylmethylamino)-N-[3-(difluoromethyl)-1-[4-(hydroxymethyl)cyclohexyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146599694
N-[3-(difluoromethyl)-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5-[[(1R)-2-hydroxycyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166733514
N-[3-(difluoromethyl)-1-[4-[[4-[[3-[1-[(2R,3R,6R)-2,6-dihydroxypiperidin-3-yl]-3-methylindazol-4-yl]oxycyclobutyl]methoxy]piperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[2-hydroxyethyl(propyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 164596353
N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-5-[[(1S,2R)-2-hydroxycyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 159686135
5-(3,8-diazabicyclo[3.2.1]octan-3-yl)-N-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 175626399
5-(cyclopropylmethylamino)-N-[3-(difluoromethyl)-1-(4-formylcyclohexyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146599792
N-[1-cyclobutyl-3-(difluoromethyl)pyrazol-4-yl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;propane
CID 156823634
N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-5-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 156523918
N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-5-[(1R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-methylpiperidin-4-ol
CID 176684961

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-5-[2-hydroxyethyl(propyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-5-[2-hydroxyethyl(propyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 169120995) is N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-5-[2-hydroxyethyl(propyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-5-[2-hydroxyethyl(propyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-5-[2-hydroxyethyl(propyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCCN(CCO)c1ccn2ncc(C(=O)Nc3cn(C4CCCCC4)nc3C(F)F)c2n1.
What is the InChIKey of N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-5-[2-hydroxyethyl(propyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VBZKRBXKEUXLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29F2N7O2/c1-2-9-29(11-12-32)18-8-10-30-21(27-18)16(13-25-30)22(33)26-17-14-31(28-19(17)20(23)24)15-6-4-3-5-7-15/h8,10,13-15,20,32H,2-7,9,11-12H2,1H3,(H,26,33).
What are the key properties of N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-5-[2-hydroxyethyl(propyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-5-[2-hydroxyethyl(propyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 461.52 g/mol, XLogP of 3.83, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclohexyl-3-(difluoromethyl)pyrazol-4-yl]-5-[2-hydroxyethyl(propyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 169120995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).